[2-(2,4-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 3-phenylpropanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 3-phenylpropanoate Openeye Name: [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(2,4-dimethylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propan-2-ylpyrazol-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C23H26N2O2 MolecularWeight: 362.46474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)C)OC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)C)OC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C23H26N2O2/c1-16(2)20-15-22(25(24-20)21-12-10-17(3)14-18(21)4)27-23(26)13-11-19-8-6-5-7-9-19/h5-10,12,14-16H,11,13H2,1-4H3